SCHEMBL4615358

SCHEMBL4615358

CCNS(=O)(=O)c1ccc(CN)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
LMNA P02545 2/20 0.61
PSIP1 O75475 1/20 0.60
CA9 Q16790 3/20 0.56
CYP2C9 P11712 1/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MAPT P10636 1/20 0.52
KMT2A Q03164 4/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TPSAB1 Q15661 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11511836 0.85 ALDH1A1 (0.83) ALDH1A1LMNACA9CYP2C9CA1
SCHEMBL12181468 0.84 ALDH1A1 (0.68) ALDH1A1LMNACYP2C9CA2KMT2A
SCHEMBL10645456 0.82 ALDH1A1 (0.70) ALDH1A1LMNACYP2C9CA2KMT2A
SCHEMBL4615715 0.82 HTR6 (0.53) ALDH1A1LMNAPSIP1CA9CYP2C9
SCHEMBL30493991 0.81 ALDH1A1 (0.63) ALDH1A1LMNACYP2C9KMT2ATSHR
SCHEMBL28859611 0.81 ALDH1A1 (0.63) ALDH1A1LMNACA9CYP2C9CA1
SCHEMBL28317568 0.81 CYP3A4 (0.70) ALDH1A1PSIP1CA9CA1CA2
SCHEMBL10476295 0.81 ALDH1A1 (0.63) ALDH1A1LMNACYP2C9KMT2ATSHR
SCHEMBL20946436 0.80 ALDH1A1 (0.73) ALDH1A1LMNAPSIP1CA9CA1
SCHEMBL923761 0.80 CA1 (0.72) ALDH1A1LMNACA9CYP2C9CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 ALDH1A1 299/4885LMNA 4772/4885PSIP1 3523/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ALDH1A1 313/4885LMNA 2688/4885PSIP1 3497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.